Vandium NMR ScVO4, YVO4, and YbVO4

Gubanov, V. A.; Pletnev, R. N.; Lisson, V. N.; Chirkov, A. K.

doi:10.1080/00387017708064985

Cited by 8 publications

(4 citation statements)

References 3 publications

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“…The span drops to 100−300 ppm for a slightly distorted tetrahedral site. The isotropic chemical shift is sensitive to the type of atoms in the second coordination sphere, − providing additional structural information.…”

Section: 51 51v Nmrmentioning

confidence: 99%

NMR Studies of Cathode Materials for Lithium-Ion Rechargeable Batteries

2004

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Contents 1. Introduction 4493 2. NMR Background 4494 2.1. Lithium NMR Spectra of Cathode Materials: Introduction 4494 2.2. NMR Spectra of Paramagnetic Materials 4494 2.2.1. Fermi-Contact Interaction 4496 2.2.2. Dipolar Coupling 4496 3. Extracting Chemical Information from the Spectra of Paramagnetic Materials 4497 3.1. Fermi-Contact Interaction 4497 3.2. Dipolar Interaction 4500 4. Applications of NMR Spectroscopy to the Study of Cathode Materials 4501 4.1. Spinels 4501 4.1.1. Cation-Doped Spinels 4502 4.2. Cr 3+ -and Ni 2+ -Substituted Layered Lithium Manganates 4504 4.3. LiCoO 2 and Related Materials 4505 4.4. Lithium Phosphates 4506 4.5. Vanadates 4507 4.5.1. 51 V NMR 4507 4.5.2. NMR Studies of Vanadium Oxides 4507 4.5.3. Vanadium Phosphates 4509 5. Conclusions 4510 6. Acknowledgments 4510 7. References 4510

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Section: 51 51v Nmrmentioning

confidence: 99%

NMR Studies of Cathode Materials for Lithium-Ion Rechargeable Batteries

2004

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“…Multinuclear solid-state NMR experiments yield quantitative site-specific information for amorphous and crystalline solids, in bulk, on surfaces, and at the interfaces . In particular, 51 V solid-state NMR spectroscopy is a rapidly emerging technique for analysis of vanadium-containing systems, including inorganic vanadates, − vanadium-based catalysts, − oxovanadium(V) alkoxides, zeolites, and metallorganic complexes. , 51 V is a half-integer quadrupolar nucleus ( I = 7 / 2 ) with high natural abundance (99.8%) and relatively high gyromagnetic ratio (Larmor frequency of 105.2 MHz at 9.4 T). The small quadrupolar moment allows direct observation of vanadium, and due to the favorable magnetic properties, small quantities of vanadium can be readily detected.…”

Section: Theoretical Considerations For 51v Solid-state Nmr Spectrosc...mentioning

confidence: 99%

⁵¹V Solid-State Magic Angle Spinning NMR Spectroscopy and DFT Studies of Oxovanadium(V) Complexes Mimicking the Active Site of Vanadium Haloperoxidases

et al. 2003

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A series of 11 oxovanadium(V) complexes mimicking the active site of vanadium haloperoxidases have been investigated by (51)V magic angle spinning NMR spectroscopy and density functional theory (DFT). The MAS spectra are dominated by the anisotropic quadrupolar and chemical shielding interactions; for these compounds, C(Q) ranges from 3 to 8 MHz, and delta(sigma) is in the range 340-730 ppm. The quadrupolar coupling and chemical shielding tensors as well as their relative orientations have been determined by numerical simulations of the spectra. The spectroscopic NMR observables appear to be very sensitive to the details of the electronic and geometric environment of the vanadium center in these complexes. For the four crystallographically characterized compounds from the series, the quadrupolar and chemical shielding anisotropies were computed at the DFT level using two different basis sets, and the calculated tensors were in general agreement with the experimental solid-state NMR data. A combination of (51)V solid-state NMR and computational methods is thus beneficial for investigation of the electrostatic and geometric environment in diamagnetic vanadium systems with moderate quadrupolar anisotropies.

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“…In addition to the structural instabilities, these series of compounds attract the community for their intriguing magnetic [9][10][11] and optical properties [12][13][14]. Over the last few decades, interesting magnetic properties have been realized for RVO 4 [15][16][17][18][19][20][21] and RCrO 4 [22][23][24][25].…”

Section: Introductionmentioning

confidence: 99%

CrO4 distortion-driven ferroelectric order in (R,Y)CrO4(<

Indra

Dey

et al. 2018

Phys. Rev. B

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We report a new multiferroic family of (R,Y)CrO 4 (R = Sm, Gd, and Ho). The ferroelectric ordering temperatures are observed at much higher temperatures than their corresponding magnetic ordering temperatures for all the members. The values of electric polarization (P) are significantly high, which vary from ∼217 to ∼640 μC/m 2 for a 4 kV/cm poling field. The large value of P (∼590 μC/m 2) for YCrO 4 compared to the smallest P value in the series for GdCrO 4 signifies that the magnetic rare-earth element does not directly influence the P value. Our careful analysis of the low-temperature synchrotron diffraction studies confirms that the distortion of CrO 4 tetrahedra directs the P value. The structural transformation from the centrosymmetric I 4 1 /amd structure to a noncentrosymmetric I42d space group at the onset of polar order is found to be correlated with the appearance of spontaneous electric polarization.

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Vandium NMR ScVO₄, YVO₄, and YbVO₄

Cited by 8 publications

References 3 publications

NMR Studies of Cathode Materials for Lithium-Ion Rechargeable Batteries

NMR Studies of Cathode Materials for Lithium-Ion Rechargeable Batteries

⁵¹V Solid-State Magic Angle Spinning NMR Spectroscopy and DFT Studies of Oxovanadium(V) Complexes Mimicking the Active Site of Vanadium Haloperoxidases

CrO4 distortion-driven ferroelectric order in (R,Y)CrO4(<

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Vandium NMR ScVO4, YVO4, and YbVO4

Cited by 8 publications

References 3 publications

NMR Studies of Cathode Materials for Lithium-Ion Rechargeable Batteries

NMR Studies of Cathode Materials for Lithium-Ion Rechargeable Batteries

51V Solid-State Magic Angle Spinning NMR Spectroscopy and DFT Studies of Oxovanadium(V) Complexes Mimicking the Active Site of Vanadium Haloperoxidases

CrO4 distortion-driven ferroelectric order in (R,Y)CrO4(<

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Vandium NMR ScVO₄, YVO₄, and YbVO₄

⁵¹V Solid-State Magic Angle Spinning NMR Spectroscopy and DFT Studies of Oxovanadium(V) Complexes Mimicking the Active Site of Vanadium Haloperoxidases